N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0810 |
| Compound Name: | N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 492.9 |
| Molecular Formula: | C23 H16 Cl F3 N2 O3 S |
| Smiles: | COc1ccc2c(C=C(C=CO2)C(Nc2ncc(Cc3cc(ccc3[Cl])C(F)(F)F)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.2073 |
| logD: | 7.2036 |
| logSw: | -6.5616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.794 |
| InChI Key: | NORLPGKLBOJXBI-UHFFFAOYSA-N |